The evaluation of Hertia cheirifolia L. extract by GC-MS coupled with in silico study as potent inhibitors of human pancreatic lipase

Hicham Bouakkaz, Neşet Neşetoğlu, Khedidja Benarous*, Leila Bou-Salah, Talia Serseg, Abderahmane Linani, Durisehvar Özer Unal, Ayşegül Gölcü, Aicha Khemili

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Özet

Hertia cheirifolia L. leaves have a long history of traditional use in treating hemorrhoids, diarrhea, rheumatic discomfort, and stomachaches. The aerial part of this plant is extracted using hexane after hydroalcoholic maceration. Analysis of the crude extract by GC-MS revealed the presence of 34 compounds, which were further investigated using in silico techniques. Notably, ligularenolide demonstrated promising cytotoxicity profiles without any indication of carcinogenic activity or cardiovascular risks. In contrast, other compounds exhibited moderate enzyme inhibition alongside notable levels of toxicity. Interestingly, our dynamic studies highlighted the stability of the ligularenolide-human pancreatic lipase (HPL) complex, showcasing its potential as an anti-obesity agent. Importantly, ligularenolide exhibited significant inhibition of HPL, (Predicted biological activities 1115 PBA) compared to orlistat, as confirmed by PASS predictions and docking results. These findings underscore the potential of Hertia cheirifolia L. extract as a natural source of anti-obesity agents, warranting further investigation into its therapeutic applications.

Orijinal dilİngilizce
DergiJournal of Biomolecular Structure and Dynamics
DOI'lar
Yayın durumuKabul Edilmiş/Basında - 2024

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© 2024 Informa UK Limited, trading as Taylor & Francis Group.

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